物理化学学报 >> 1989, Vol. 5 >> Issue (04): 392-394.doi: 10.3866/PKU.WHXB19890403

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芳基三氮烯4-位取代基对抗癌活性影响的构象分析

范小玲; 朱敏慧; 傅亨   

  1. 中国科学院电子研究所; 中国科学院化学研究所
  • 收稿日期:1989-01-11 修回日期:1989-04-11 发布日期:1989-08-15
  • 通讯作者: 朱敏慧

THE CONFORMATIONAL ANALYSIS OF 4′-R-3,3-DIALKYLPHENYL-TRIAZENES ON ANTITUMOR POTENCY

Fan Xiaoling; Zhu Minhui*; Fu Heng   

  1. The Institute of Electronics; Academia Sinica; The Institute of Chemistry; Academia Sinica
  • Received:1989-01-11 Revised:1989-04-11 Published:1989-08-15
  • Contact: Zhu Minhui

Abstract: Using the MMPI program and 3-D high resolution molecular modeling system, a preliminary structure-activity relationship (SAR) based upon molecular shape analysis has been developed for a set of 20 4-R-3, 3-dialkylphenyl-triazenes for which antitumor potency against L1712 Leukemia in mice is reported. The SAR suggests that for antitumor potency, here is a significant difference between the shapes of the active and inactive molecules.